2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanone

Systemtic Name: 2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 1-(4-isopropylphenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone CAS Name: 2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 1-p-cumenyl-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-1-ium-1-yl)ethanone Formula: C25H29N2O+ MolecularWeight: 373.51056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C[N+]2=C3CCCCCN3C(=C2)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C[N+]2=C3CCCCCN3C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C25H29N2O/c1-19(2)20-12-14-22(15-13-20)24(28)18-26-17-23(21-9-5-3-6-10-21)27-16-8-4-7-11-25(26)27/h3,5-6,9-10,12-15,17,19H,4,7-8,11,16,18H2,1-2H3/q+1